ethyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2-chloro-5-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2-chloro-5-nitrophenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-nitrophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H25ClN2O8S MolecularWeight: 548.9926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C25H25ClN2O8S/c1-3-35-25(30)23-15(2)36-21-12-10-17(13-19(21)23)27(24(29)16-7-5-4-6-8-16)37(33,34)22-14-18(28(31)32)9-11-20(22)26/h9-14,16H,3-8H2,1-2H3